Summary

IMPPAT Phytochemical identifier: IMPHY016418

Phytochemical name: 4-Hydroxy-2-cyclohexen-1-one

Synonymous chemical names:
4-hydroxy-2-cyclohexen-1-one

External chemical identifiers:
CID:558502, SureChEMBL:SCHEMBL3014862

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Chemical structure information

SMILES:
OC1CCC(=O)C=C1

InChI:
InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-2,5,7H,3-4H2

InChIKey:
AMFCFGFZMSQOIU-UHFFFAOYSA-N

DeepSMILES:
OCCCC=O)C=C6

Functional groups:
CC=CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 3.123

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Chemical structure download